CAS: 97682-44-5; (S)-4,11-Diethyl-4-Hydroxy-3,14-Dioxo-3,4,12,14-Tetrahydro-1H-Pyrano[3',4':6,7]Indolizino[1,2-B]Quinolin-9-Yl [1,4'-Bipiperidine]-1'-Carboxylate

• 英文名称(S)-4,11-Diethyl-4-Hydroxy-3,14-Dioxo-3,4,12,14-Tetrahydro-1H-Pyrano[3',4':6,7]Indolizino[1,2-B]Quinolin-9-Yl [1,4'-Bipiperidine]-1'-Carboxylate
• 中文名称伊立替康
• IUPAC名称(S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylate
• 其它别名1,4'-Bipiperidine-1'-carboxylic acid (S)-4,11-diethyl-3,4,12,14- tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4'6,7]indolizino[1,2-b]quinolin-9-yl ester
• CAS编号97682-44-5
• MFCD编号:MFCD00866307
• EINECS号:691-567-9
• 分子式:C33H38N4O6
• 分子量:586.69
• 产品CID: 2022620
• 同类组份化合物CAS100286-90-6 (HCl)143490-53-3 (Lactone Impurity)136572-09-3 (HCl trihydrate)97682-44-5 (Free base)1329502-92-2 (Carboxylate Sodium Salt)
• 产品分类生物化工 → 提取物

• 相似结构搜索
• 产品信息参考;;;
• InChIKey: UWKQSNNFCGGAFS-XIFFEERXSA-N
• InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-…
• 计算化学: 氢键受体数8.0氢键供体数1.0可旋转键数5.0

物理性质

• 熔点222-223°
• 沸点873.4±65.0 °C at 760 mmHg
• 闪点482.0±34.3 °C
• 密度1.4±0.1 g/cm3
• pKa:11.20±0.20(预测)
• PSA:114.2
• LogP:4.35
• 折射率1.689
• 蒸汽压0.0±0.3 mmHg at 25°C
• 溶解性Acetonitrile (Slightly, Heated, Sonicated), DMSO (Slightly), Methanol (Slightly)
• 外观形态白色至棕色固体
• 储存条件密封干燥,2-8°C
• 产品应用伊立替康(97682-44-5)的用途:本品为抗肿瘤药.为DNA合成抑制剂.是喜树碱的半合成衍生物.用于制备盐酸伊立替康和盐酸伊立替康三水合物,抗癌药.

MSDS等安全信息

• GHS象形图
• GHS符号GHS08 & GHS07 & GHS05;
  注释: Health hazard & Exclamation mark & Corrosion
• 危险类别生殖毒性 类别2
  急性毒性 类别4(经口)
  特定目标器官毒性-重复接触 类别2
  皮肤腐蚀/刺激 类别2
  严重眼损伤 类别1
• 警示词Danger(危险)
• 危险描述H361 |怀疑对生育能力或胎儿造成损害.
  H302 |吞咽有害.
  H373 |长期或反复接触可能损害器官.
  H315 |造成皮肤刺激.
  H318 |造成严重眼损伤.
• 防范说明P264-P270-P301+P312-P330-P501-P201-P202-P281-P308+P313-P405-P501-P260-P314-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310
• UN编号1544
• 危险品标志Xn
• 安全声明H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
• 危险类别码22

欧盟法规

上下游产品

合成工艺路线路线简述

• 86639-52-3 + 103816-19-9 = 97682-44-5
  反应条件:1.1 Catalysts: Triethylamine,4-(Dimethylamino)Pyridine Solvents: Dichloromethane,Dimethylacetamide; 35 °C; 10 H,40 °C
  标题:Process For Preparation Of Pure Irinotecan Hydrochloride Trihydrate
  参考文献:China]
  
  1078714-20-1 + 4897-50-1 + 86639-52-3 = 97682-44-5
  反应条件:1.1 Solvents: Dichloromethane; Rt -> -10 °C1.2 Solvents: Dichloromethane; -10 - 0 °C1.3 Reagents: Diisopropylethylamine; 1 H,-10 - 0 °C; 0 °C -> Rt; 2 H,Rt1.4 Solvents: Pyridine; 0.5 - 2 H,Rt
  标题:Process To Prepare Camptothecin Derivatives
  参考文献:United States]
  
  143254-82-4 + 86639-52-3 = 97682-44-5
  反应条件:1.1 Reagents: Dimethylethylamine Solvents: Dichloromethane; 2.5 H,Rt
  标题:Method For Preparation Of Irinotecan
  参考文献:Korea]
  
  86639-52-3 + 103816-19-9 = 97682-44-5
  反应条件:1.1 Solvents: Dichloromethane,Pyridine1.2 Reagents: Hydrochloric Acid
  标题:Improved Method For The Synthesis Of Irinotecan
  作者:Li,Yuyan; You,Qidong; Li,Zhiyu; Wang,Hua
  参考文献:Zhongguo Yaowu Huaxue Zazhi 日期:2001 卷标:11(4) 页码:238-240]
  
  1094004-08-6 + 86639-52-3 = 97682-44-5
  反应条件:1.1 6 H,45 - 50 °C
  标题:Process For Preparation Of Irinotecan Hydrochloride
  参考文献:China]
  
  86639-52-3 + 103816-19-9 = 97682-44-5
  反应条件:1.1 Reagents: Dabco,Diisopropylethylamine Solvents: Dichloromethane; 0.5 H,35 - 40 °C
  标题:Methods For Preparing Irinotecan
  参考文献:United States]
  
  1094004-08-6 + 86639-52-3 = 97682-44-5
  反应条件:1.1 Solvents: Dichloromethane; 45 - 50 °C; 6 H,45 - 50 °C
  标题:Method For Preparing Irinotecan Hydrochloride
  参考文献:China]
  
  97682-44-5 + 25038-53-3 + 26023-30-3 = 97682-44-5
  反应条件:1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine Solvents: Dimethyl Sulfoxide; 48 H,25 °C
  标题:Polyamino Acid Graft Copolymer And Its Preparation Method
  参考文献:China]
  
  86639-52-3 + 103816-19-9 = 97682-44-5 [标题:Reaction Conditions
  标题:Synthesis And Antitumor Activity Of 20(S)-Camptothecin Derivatives: Carbamate-Linked,Water-Soluble Derivatives Of 7-Ethyl-10-Hydroxycamptothecin
  作者:Sawada,Seigo; Okajima,Satoru; Aiyama,Ritsuo; Nokata,Kenichiro; Furuta,Tomio; Et Al
  参考文献:Chemical & Pharmaceutical Bulletin 日期:1991 卷标:39(6) 页码:1446-54]
  
  86639-52-3 + 103816-19-9 = 97682-44-5
  反应条件:1.1 Reagents: Sodium Bicarbonate Solvents: Dichloromethane,Water; 1 H,Rt1.2 Solvents: Pyridine; 3 H,Rt; 10 H,25 - 30 °C
  标题:Process For Preparation Of Irinotecan
  参考文献:China]
  
  86639-52-3 + 956491-28-4 = 97682-44-5
  反应条件:1.1 Solvents: Pyridine; 2 H,Reflux1.2 Reagents: Sodium Bicarbonate Solvents: Chloroform; 30 Min
  标题:Method For Preparation Of Camptothecin Derivative
  参考文献:China]
  
  86639-52-3 + 103816-19-9 = 97682-44-5
  反应条件:1.1 Reagents: Acetamide,Triethylamine Solvents: Dichloromethane,Pyridine; 2 H,30 - 40 °C
  标题:Process For Preparation Of Irinotecan Hydrochloride Trihydrate
  参考文献:United States]
  
  4897-50-1 + 86639-52-3 = 97682-44-5
  反应条件:1.1 Solvents: Dichloromethane; -10 - 0 °C1.2 Reagents: Diisopropylethylamine Solvents: Dichloromethane; 1 H,-10 - 0 °C; 2 H,Rt1.3 Solvents: Pyridine; 0.5 - 2 H,Rt
  标题:Process To Prepare Camptothecin Derivatives
  参考文献:United States]
  
  143254-82-4 + 86639-52-3 = 97682-44-5
  反应条件:1.1 Catalysts: 4-(Dimethylamino)Pyridine Solvents: Acetonitrile; Rt; Rt; Rt; 5 H,75 °C
  标题:Method Of Manufacturing Of 7-Ethyl-10-[4-(1-Piperidino)-1-Piperidino]Carbonyloxycamptothecin (Irinotecan Base) By The Esterification Of 7-Ethyl-L0-Hydroxycamptothecin With 1-Chlorocarbonyl-4-Piperidinopiperidine Hydrochloride In The Presence Of 4-Dimethylaminopyridine
  参考文献:World Intellectual Property Organization]
  
  1094004-08-6 + 86639-52-3 = 97682-44-5
  反应条件:1.1 Solvents: Dichloromethane,Pyridine; Rt -> -5 °C1.2 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)Pyridine; -5 °C
  标题:Process For Preparation Of Irinotecan And Intermediate
  参考文献:China]
  
  86639-52-3 + 103816-19-9 = 97682-44-5 [标题:Reaction Conditions
  标题:Method Of Synthesizing Camptothecin-Relating Compounds
  参考文献:World Intellectual Property Organization]
  
  4897-50-1 + 86639-52-3 = 97682-44-5
  反应条件:1.1 Solvents: Pyridine; 36 H,35 - 40 °C1.2 Solvents: Methanol,Water; 30 Min,Reflux; Reflux -> 5 °C; 1 H,2 - 5 °C; 5 °C -> 0 °C; 1 H,0 °C
  标题:Preparation Of Irinotecan By The Use Of A Carbonylation Agent And An Alkaline Solvent
  参考文献:India]
  
  143254-82-4 + 86639-52-3 = 97682-44-5
  反应条件:1.1 Reagents: Pyridine Solvents: Dichloromethane; 2 H,Rt1.2 Reagents: Sodium Bicarbonate Solvents: Water; Rt
  标题:Visible-Light-Induced Radical Cascade Cyclization: Synthesis Of (20S)-Camptothecin,Sn-38 And Irinotecan
  作者:Yuan,Yao; Dong,Wuheng; Gao,Xiaoshuang; Xie,Xiaomin; Curran,Dennis P.; Et Al
  参考文献:Chinese Journal Of Chemistry 日期:2018 卷标:36(11) 页码:1035-1040]
  
  110351-94-5 + 35364-15-9 + 103816-19-9 = 97682-44-5
  反应条件:1.1 Reagents: P-Toluenesulfonic Acid Solvents: Acetic Acid,Toluene1.2 Reagents: Pyridine1.3 Solvents: Dichloromethane1.4 Reagents: Sodium Bicarbonate Solvents: Dichloromethane,Water
  标题:Practical Asymmetric Synthesis Of (S)-4-Ethyl-6,7,8,10- Tetrahydro-4-Hydroxy-1H-Pyrano[3,4-F]Indolizine-3,6,10(4H)-Trione,A Key Intermediate For The Synthesis Of Irinotecan And Other Camptothecin Analogs
  作者:Henegar,Kevin E.; Ashford,Scott W.; Baughman,Ted A.; Sih,John C.; Gu,Rui-Lin
  参考文献:Journal Of Organic Chemistry 日期:1997 卷标:62(19) 页码:6588-6597]
  
  620160-86-3 + 110351-94-5 = 97682-44-5
  反应条件:1.1 Reagents: Chlorotrimethylsilane Solvents: Dimethylformamide; Rt; 3 H,100 °C1.2 Reagents: Water; Cooled
  标题:Process For Preparation Of 20(S)-Camptothecin And Analogs
  参考文献:China

海关参考信息

• 2905122000-异丙醇
  2905310000-1,2-乙二醇
  2905320000-1,2-丙二醇
  2912110000-甲醛
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管